==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAY-05 1X3L . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PH0495; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.MIZUTANI,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 436 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19198.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 37 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 1 2 1 2 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 230 0, 0.0 281,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-162.1 -3.3 14.0 23.6 2 2 A I - 0 0 128 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.192 360.0-108.4 -59.9 151.3 -4.7 16.7 25.9 3 3 A A - 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.458 34.5-171.2 -80.0 153.3 -7.0 19.2 24.4 4 4 A M - 0 0 46 -2,-0.1 2,-0.0 4,-0.0 0, 0.0 -0.996 25.8-116.5-145.7 140.8 -5.9 22.9 23.9 5 5 A D > - 0 0 128 -2,-0.3 4,-1.7 1,-0.1 3,-0.3 -0.361 39.5-108.2 -68.3 160.3 -7.8 26.0 22.8 6 6 A I H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.835 119.4 57.2 -61.8 -29.4 -6.6 27.4 19.5 7 7 A R H > S+ 0 0 75 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.885 102.9 50.4 -69.4 -40.6 -4.9 30.3 21.5 8 8 A E H > S+ 0 0 91 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.902 111.9 50.6 -63.9 -38.3 -2.8 28.0 23.7 9 9 A I H X S+ 0 0 13 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.960 110.6 48.1 -63.0 -49.9 -1.6 26.3 20.5 10 10 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.925 113.8 45.5 -56.6 -48.4 -0.8 29.6 18.9 11 11 A L H X S+ 0 0 76 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.842 110.1 55.8 -65.8 -31.8 1.2 30.9 21.9 12 12 A R H X S+ 0 0 108 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.903 108.9 46.9 -65.3 -41.0 2.9 27.5 22.2 13 13 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.824 108.6 54.9 -71.1 -32.4 4.1 27.8 18.6 14 14 A V H X S+ 0 0 6 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.931 106.5 52.2 -65.3 -44.1 5.3 31.4 19.1 15 15 A G H X S+ 0 0 23 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.875 106.8 53.2 -58.6 -38.7 7.4 30.2 22.1 16 16 A E H X S+ 0 0 50 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.896 107.5 50.5 -64.2 -41.5 9.0 27.5 19.9 17 17 A A H X S+ 0 0 0 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.914 112.3 47.2 -63.6 -43.1 10.0 30.0 17.3 18 18 A I H >< S+ 0 0 34 -4,-2.1 3,-0.8 1,-0.2 4,-0.5 0.912 111.7 49.8 -66.3 -42.3 11.6 32.3 19.9 19 19 A K H >< S+ 0 0 100 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.892 106.9 54.7 -63.4 -40.4 13.5 29.4 21.6 20 20 A A H 3< S+ 0 0 12 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.676 111.1 47.5 -67.4 -16.2 14.8 28.2 18.2 21 21 A A T << S+ 0 0 0 -3,-0.8 403,-0.3 -4,-0.6 -1,-0.3 0.445 80.7 118.8-102.8 -3.6 16.2 31.7 17.7 22 22 A D <> - 0 0 33 -3,-1.1 4,-3.8 -4,-0.5 5,-0.3 -0.491 63.8-139.3 -65.0 124.1 17.8 32.0 21.2 23 23 A P H > S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.912 100.7 44.4 -51.3 -49.6 21.5 32.5 20.7 24 24 A Y H > S+ 0 0 47 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.966 119.7 40.5 -61.1 -54.8 22.5 30.3 23.6 25 25 A R H > S+ 0 0 132 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 110.6 59.2 -61.9 -40.6 20.0 27.5 22.7 26 26 A A H X S+ 0 0 1 -4,-3.8 4,-1.7 1,-0.2 -1,-0.2 0.891 105.1 49.7 -57.0 -41.4 20.7 27.8 19.0 27 27 A V H X S+ 0 0 0 -4,-1.8 4,-3.3 -5,-0.3 -1,-0.2 0.934 112.5 46.4 -64.4 -45.4 24.3 27.0 19.6 28 28 A L H < S+ 0 0 46 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.850 110.1 53.6 -66.5 -33.8 23.5 23.9 21.7 29 29 A N H < S+ 0 0 100 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.870 119.3 35.4 -66.5 -35.2 20.9 22.7 19.1 30 30 A A H < S+ 0 0 7 -4,-1.7 11,-2.4 -5,-0.2 2,-0.6 0.838 112.8 59.4 -86.7 -38.1 23.6 23.0 16.4 31 31 A V E < +A 40 0A 3 -4,-3.3 2,-0.4 9,-0.2 9,-0.2 -0.865 59.8 177.1-104.3 114.3 26.7 21.9 18.2 32 32 A K E -A 39 0A 111 7,-2.6 7,-3.3 -2,-0.6 2,-0.4 -0.890 13.9-152.0-112.1 142.9 26.9 18.5 19.8 33 33 A V E +A 38 0A 54 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.962 13.9 179.5-122.2 133.9 30.0 17.2 21.5 34 34 A S - 0 0 79 3,-3.2 -1,-0.1 -2,-0.4 4,-0.1 0.625 57.9 -76.3 -91.4-113.2 31.1 13.5 21.9 35 35 A D S S- 0 0 158 3,-0.0 3,-0.1 12,-0.0 -2,-0.0 0.519 123.5 -1.4-125.2 -28.4 34.4 12.8 23.8 36 36 A D S S+ 0 0 66 1,-0.1 11,-3.7 9,-0.0 2,-0.4 0.311 121.2 81.5-142.2 -3.4 36.7 13.8 21.0 37 37 A K E - B 0 46A 56 9,-0.2 -3,-3.2 2,-0.0 2,-0.5 -0.869 55.5-157.6-115.8 145.1 34.3 14.8 18.3 38 38 A I E -AB 33 45A 0 7,-3.2 7,-2.4 -2,-0.4 2,-0.6 -0.984 12.1-162.2-118.1 120.8 32.3 18.0 17.6 39 39 A I E -AB 32 44A 49 -7,-3.3 -7,-2.6 -2,-0.5 2,-0.7 -0.900 5.7-172.9-112.5 110.1 29.2 17.6 15.5 40 40 A V E > S-AB 31 43A 0 3,-2.8 3,-2.4 -2,-0.6 -9,-0.2 -0.876 74.8 -33.0-105.4 110.3 27.8 20.7 13.9 41 41 A Q T 3 S- 0 0 103 -11,-2.4 -1,-0.2 -2,-0.7 -10,-0.1 0.888 128.1 -44.7 47.3 43.0 24.5 20.3 12.2 42 42 A G T 3 S+ 0 0 65 -12,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.009 112.5 119.5 95.7 -30.5 25.7 16.8 11.2 43 43 A K E < -B 40 0A 100 -3,-2.4 -3,-2.8 -4,-0.1 2,-0.4 -0.599 55.5-145.1 -74.6 120.9 29.2 17.7 10.1 44 44 A E E -B 39 0A 108 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.706 17.0-174.5 -93.7 137.1 31.7 15.9 12.4 45 45 A F E -B 38 0A 16 -7,-2.4 -7,-3.2 -2,-0.4 2,-0.4 -0.995 19.6-133.8-130.4 135.0 35.0 17.3 13.4 46 46 A E E -B 37 0A 86 -2,-0.4 2,-1.1 -9,-0.2 -9,-0.2 -0.719 17.6-130.9 -89.7 135.0 37.8 15.6 15.4 47 47 A I + 0 0 33 -11,-3.7 76,-0.1 -2,-0.4 4,-0.1 -0.730 42.8 153.9 -86.8 99.5 39.3 17.4 18.3 48 48 A K + 0 0 127 -2,-1.1 2,-0.2 74,-0.3 -1,-0.1 -0.088 65.7 2.0-118.1 35.4 43.1 17.1 17.8 49 49 A G S S- 0 0 33 72,-0.0 74,-0.2 75,-0.0 2,-0.2 -0.861 99.5 -37.6-178.3-147.9 44.2 20.2 19.6 50 50 A K - 0 0 102 -2,-0.2 74,-2.7 70,-0.0 2,-0.5 -0.522 48.1-125.4 -98.5 168.8 42.9 23.1 21.6 51 51 A V E -c 124 0B 6 21,-0.4 23,-2.1 72,-0.2 24,-0.8 -0.967 24.1-174.8-120.5 128.3 39.7 25.1 21.2 52 52 A Y E -cd 125 75B 5 72,-2.6 74,-2.8 -2,-0.5 2,-0.4 -0.808 10.6-147.2-117.3 158.8 39.6 28.9 20.8 53 53 A V E +cd 126 76B 0 22,-1.6 24,-2.3 -2,-0.3 2,-0.5 -0.988 14.9 178.3-133.7 129.7 36.6 31.3 20.6 54 54 A I E -cd 127 77B 0 72,-2.8 74,-2.5 -2,-0.4 2,-0.4 -0.948 16.8-179.9-128.0 107.4 36.2 34.6 18.7 55 55 A A E +cd 128 78B 0 22,-3.0 24,-3.0 -2,-0.5 2,-0.3 -0.902 6.6 174.1-114.4 139.7 32.7 36.1 19.1 56 56 A L E +cd 129 79B 0 72,-2.9 74,-2.0 -2,-0.4 77,-0.3 -0.982 38.1 49.1-146.2 130.0 31.4 39.3 17.6 57 57 A G S > S- 0 0 0 22,-2.1 3,-1.5 -2,-0.3 4,-0.3 -0.711 96.0 -58.4 132.9 175.8 27.9 40.8 17.7 58 58 A K T 3 S+ 0 0 83 73,-2.7 3,-0.2 1,-0.3 4,-0.2 0.727 135.2 42.7 -64.2 -23.0 25.1 41.6 20.1 59 59 A A T 3> S+ 0 0 12 72,-0.2 4,-3.0 1,-0.1 5,-0.3 0.159 77.5 118.1-109.1 17.6 24.9 37.9 21.2 60 60 A A H <> S+ 0 0 0 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.901 78.8 43.6 -49.0 -50.8 28.7 37.3 21.4 61 61 A C H > S+ 0 0 2 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.901 113.9 49.4 -66.1 -42.5 28.6 36.5 25.1 62 62 A E H > S+ 0 0 37 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.932 114.7 44.6 -64.1 -43.4 25.5 34.4 25.0 63 63 A M H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 3,-0.2 0.927 113.9 50.4 -65.6 -42.7 26.9 32.3 22.1 64 64 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.877 105.3 57.2 -61.2 -40.1 30.3 32.1 23.7 65 65 A R H X S+ 0 0 88 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.877 103.8 53.5 -60.1 -38.2 28.7 30.9 27.0 66 66 A A H X S+ 0 0 0 -4,-1.4 4,-0.6 -3,-0.2 -1,-0.2 0.913 108.2 49.3 -63.8 -43.5 27.1 28.0 25.1 67 67 A I H >X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 3,-1.1 0.918 109.7 51.1 -63.0 -43.3 30.5 26.9 23.7 68 68 A E H 3< S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.778 104.1 59.7 -65.3 -26.5 32.1 27.0 27.1 69 69 A D H 3< S+ 0 0 69 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.655 118.7 27.5 -77.5 -14.3 29.3 24.9 28.6 70 70 A I H << S+ 0 0 51 -3,-1.1 2,-0.3 -4,-0.6 -2,-0.2 0.466 125.2 38.1-122.9 -6.1 30.1 22.0 26.2 71 71 A L S < S- 0 0 15 -4,-1.6 2,-0.7 -5,-0.1 -1,-0.2 -0.999 76.8-115.7-147.9 146.3 33.8 22.5 25.5 72 72 A D - 0 0 155 -2,-0.3 2,-0.6 -3,-0.1 -21,-0.4 -0.727 35.3-151.7 -82.5 117.1 37.0 23.5 27.4 73 73 A V - 0 0 5 -2,-0.7 -21,-0.2 1,-0.2 3,-0.1 -0.822 13.9-159.3 -98.4 121.3 38.1 26.7 25.8 74 74 A E S S- 0 0 46 -23,-2.1 2,-0.3 -2,-0.6 -22,-0.2 0.920 70.5 -46.4 -59.2 -46.1 41.9 27.5 25.9 75 75 A D E +d 52 0B 54 -24,-0.8 -22,-1.6 2,-0.0 2,-0.3 -0.968 65.9 149.1-176.7 169.8 41.2 31.2 25.3 76 76 A G E -d 53 0B 1 14,-0.5 16,-2.0 -2,-0.3 2,-0.3 -0.985 31.4-108.3 172.1-174.7 39.2 33.7 23.2 77 77 A V E -de 54 92B 2 -24,-2.3 -22,-3.0 -2,-0.3 2,-0.5 -0.998 10.9-158.2-145.8 144.9 37.4 37.0 23.0 78 78 A A E -de 55 93B 0 14,-2.6 16,-2.9 -2,-0.3 2,-0.6 -0.984 9.6-164.6-126.5 117.7 33.8 38.2 22.8 79 79 A V E +de 56 94B 0 -24,-3.0 -22,-2.1 -2,-0.5 2,-0.2 -0.915 25.2 148.7-107.4 118.2 33.1 41.7 21.4 80 80 A T E - e 0 95B 0 14,-2.5 16,-2.9 -2,-0.6 -22,-0.2 -0.820 45.8 -69.5-139.4 177.2 29.7 43.1 22.1 81 81 A K E > - e 0 96B 38 14,-0.2 3,-1.7 -2,-0.2 4,-0.3 -0.213 62.2 -82.8 -68.6 159.2 27.7 46.3 22.6 82 82 A Y T 3 S+ 0 0 110 14,-0.6 -1,-0.1 1,-0.3 16,-0.0 -0.440 119.3 20.7 -63.4 128.6 28.1 48.5 25.7 83 83 A G T 3 S+ 0 0 69 -2,-0.2 -1,-0.3 -3,-0.1 3,-0.2 0.058 97.5 95.1 99.9 -24.8 25.9 47.1 28.5 84 84 A Y < + 0 0 92 -3,-1.7 -2,-0.1 1,-0.2 -23,-0.1 0.515 54.4 133.3 -76.5 -3.9 25.7 43.6 26.9 85 85 A G + 0 0 14 -4,-0.3 -1,-0.2 -5,-0.1 -24,-0.1 0.629 20.7 160.0 -8.4-104.7 28.6 42.6 29.2 86 86 A K - 0 0 104 -3,-0.2 -2,-0.0 7,-0.1 0, 0.0 0.912 43.0-113.5 62.6 101.8 28.0 39.3 30.9 87 87 A E - 0 0 185 1,-0.1 2,-0.3 6,-0.0 5,-0.1 -0.190 27.5-151.6 -64.4 153.1 31.2 37.7 32.2 88 88 A L - 0 0 31 3,-0.4 5,-0.1 1,-0.1 -1,-0.1 -0.836 19.1-123.6-124.4 161.9 32.7 34.5 30.8 89 89 A K S S- 0 0 160 -2,-0.3 -1,-0.1 1,-0.1 -24,-0.0 0.935 101.9 -3.8 -72.0 -49.8 34.9 31.7 32.3 90 90 A R S S+ 0 0 131 2,-0.1 2,-0.5 -15,-0.0 -14,-0.5 0.267 113.2 91.2-129.6 10.8 37.8 31.7 29.9 91 91 A I S S- 0 0 6 -16,-0.2 -3,-0.4 -39,-0.1 -14,-0.2 -0.940 70.8-130.8-114.8 124.8 36.8 34.2 27.2 92 92 A K E -e 77 0B 112 -16,-2.0 -14,-2.6 -2,-0.5 2,-0.5 -0.473 22.5-141.6 -71.4 139.3 37.8 37.9 27.6 93 93 A V E +e 78 0B 45 -16,-0.2 2,-0.4 -2,-0.2 -14,-0.2 -0.898 19.8 179.6-111.0 132.5 34.9 40.3 27.1 94 94 A I E -e 79 0B 10 -16,-2.9 -14,-2.5 -2,-0.5 2,-0.5 -0.995 15.5-151.4-130.5 129.2 35.1 43.7 25.3 95 95 A E E +e 80 0B 59 -2,-0.4 -14,-0.2 -16,-0.2 2,-0.2 -0.875 26.8 177.1-100.5 128.8 32.3 46.1 24.8 96 96 A A E -e 81 0B 0 -16,-2.9 -14,-0.6 -2,-0.5 40,-0.1 -0.712 30.5 -69.8-126.8 177.8 32.6 48.3 21.7 97 97 A G - 0 0 4 -2,-0.2 5,-0.2 38,-0.2 -1,-0.1 -0.355 46.0-153.1 -73.2 146.0 30.9 50.9 19.6 98 98 A H S S+ 0 0 53 3,-0.1 -16,-0.1 -2,-0.1 35,-0.0 -0.874 72.5 4.9-169.3 137.6 27.7 50.4 17.6 99 99 A P S S+ 0 0 105 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.995 138.3 43.1 -74.0 -2.3 26.3 51.4 15.1 100 100 A I S S- 0 0 107 35,-0.0 -2,-0.1 36,-0.0 35,-0.1 -0.927 89.6-125.4-109.8 124.0 29.5 53.6 14.9 101 101 A P - 0 0 19 0, 0.0 2,-0.2 0, 0.0 35,-0.1 -0.282 31.1-179.9 -65.2 147.1 32.8 51.8 15.5 102 102 A D >> - 0 0 39 33,-0.4 4,-1.2 -5,-0.2 3,-1.1 -0.704 49.0 -74.1-133.1-172.8 35.2 53.2 18.2 103 103 A E H 3> S+ 0 0 127 1,-0.3 4,-2.3 -2,-0.2 5,-0.1 0.771 127.1 60.1 -59.5 -27.0 38.6 52.3 19.6 104 104 A K H 3> S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.834 99.0 57.7 -70.2 -30.5 37.2 49.3 21.5 105 105 A S H <> S+ 0 0 1 -3,-1.1 4,-2.2 2,-0.2 33,-0.7 0.917 109.9 44.3 -62.7 -43.5 36.0 47.8 18.1 106 106 A I H X S+ 0 0 19 -4,-1.2 4,-3.0 2,-0.2 5,-0.2 0.916 110.5 54.2 -66.4 -44.1 39.6 48.0 17.0 107 107 A L H X S+ 0 0 72 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.889 109.0 50.0 -57.3 -40.5 40.8 46.6 20.3 108 108 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.940 111.1 46.9 -64.1 -47.8 38.4 43.7 19.8 109 109 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 29,-0.4 -2,-0.2 0.911 112.3 50.5 -60.5 -43.8 39.6 42.9 16.3 110 110 A K H X S+ 0 0 116 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.895 108.7 52.5 -61.6 -40.1 43.3 43.1 17.4 111 111 A E H X S+ 0 0 57 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.891 109.1 50.5 -61.8 -40.0 42.5 40.7 20.2 112 112 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.903 109.1 49.6 -65.9 -42.2 41.0 38.3 17.7 113 113 A L H X S+ 0 0 25 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.896 107.5 55.8 -63.9 -38.6 44.0 38.5 15.4 114 114 A S H X S+ 0 0 69 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.917 108.4 47.9 -58.1 -44.4 46.2 37.8 18.5 115 115 A I H X S+ 0 0 9 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.887 111.2 49.7 -64.4 -40.8 44.2 34.6 19.1 116 116 A L H < S+ 0 0 3 -4,-2.1 70,-0.4 1,-0.2 -1,-0.2 0.728 105.9 57.4 -71.9 -21.8 44.5 33.5 15.5 117 117 A N H < S+ 0 0 112 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.865 111.5 42.8 -74.6 -34.1 48.2 34.1 15.6 118 118 A R H < S+ 0 0 112 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.787 93.0 95.0 -81.1 -31.5 48.5 31.7 18.5 119 119 A A < - 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